1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine

C47H37N — CID 171461549

IUPAC1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c1C2(C)c1ccccc1
InChIInChI=1S/C47H37N/c1-46(2)40-21-12-10-19-37(40)38-30-29-36(31-43(38)46)48(35-27-25-33(26-28-35)32-15-6-4-7-16-32)44-24-14-23-42-45(44)39-20-11-13-22-41(39)47(42,3)34-17-8-5-9-18-34/h4-31H,1-3H3/i11D,13D,14D,20D,22D,23D,24D
InChIKeyGGLUOWNBJZQUBZ-VSULQJLVSA-N
MW622.86 g/mol
LogP12.46
Rot. Bonds5

About 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine

1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 171461549) has the molecular formula C47H37N and a molecular weight of 622.86 g/mol. Its IUPAC name is 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID171461549
Molecular FormulaC47H37N
Molecular Weight622.86 g/mol
Exact Mass622.34
IUPAC Name1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c1C2(C)c1ccccc1
InChIInChI=1S/C47H37N/c1-46(2)40-21-12-10-19-37(40)38-30-29-36(31-43(38)46)48(35-27-25-33(26-28-35)32-15-6-4-7-16-32)44-24-14-23-42-45(44)39-20-11-13-22-41(39)47(42,3)34-17-8-5-9-18-34/h4-31H,1-3H3/i11D,13D,14D,20D,22D,23D,24D
InChIKeyGGLUOWNBJZQUBZ-VSULQJLVSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.86
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
9,9-dimethyl-N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 165158461
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121585
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090
1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171452642
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine (CID 171461549) is 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c1C2(C)c1ccccc1.
What is the InChIKey of 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is GGLUOWNBJZQUBZ-VSULQJLVSA-N. The full InChI is InChI=1S/C47H37N/c1-46(2)40-21-12-10-19-37(40)38-30-29-36(31-43(38)46)48(35-27-25-33(26-28-35)32-15-6-4-7-16-32)44-24-14-23-42-45(44)39-20-11-13-22-41(39)47(42,3)34-17-8-5-9-18-34/h4-31H,1-3H3/i11D,13D,14D,20D,22D,23D,24D.
What are the key properties of 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine?
1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 622.86 g/mol, XLogP of 12.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 171461549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).